2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C14H20ClIN2O — CID 119460923

IUPAC2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(I)c1)NCC1CCCNC1
InChIInChI=1S/C14H19IN2O.ClH/c15-13-5-1-3-11(7-13)8-14(18)17-10-12-4-2-6-16-9-12;/h1,3,5,7,12,16H,2,4,6,8-10H2,(H,17,18);1H
InChIKeyHDDUSUIULZXKEF-UHFFFAOYSA-N
MW394.68 g/mol
LogP2.37
Rot. Bonds4

About 2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119460923) has the molecular formula C14H20ClIN2O and a molecular weight of 394.68 g/mol. Its IUPAC name is 2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119460923
Molecular FormulaC14H20ClIN2O
Molecular Weight394.68 g/mol
Exact Mass394.03
IUPAC Name2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1cccc(I)c1)NCC1CCCNC1
InChIInChI=1S/C14H19IN2O.ClH/c15-13-5-1-3-11(7-13)8-14(18)17-10-12-4-2-6-16-9-12;/h1,3,5,7,12,16H,2,4,6,8-10H2,(H,17,18);1H
InChIKeyHDDUSUIULZXKEF-UHFFFAOYSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.68
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
methyl 3-[2-oxo-2-(pyrrolidin-3-ylmethylamino)ethyl]benzoate;hydrochloride
CID 166238732
2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 91660403
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119464429

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119460923) is 2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is Cl.O=C(Cc1cccc(I)c1)NCC1CCCNC1.
What is the InChIKey of 2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is HDDUSUIULZXKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O.ClH/c15-13-5-1-3-11(7-13)8-14(18)17-10-12-4-2-6-16-9-12;/h1,3,5,7,12,16H,2,4,6,8-10H2,(H,17,18);1H.
What are the key properties of 2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 394.68 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119460923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).